2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine

C13H28ClN — CID 107155601

IUPAC2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine
SMILESCCC(CC)CNCC(Cl)CC(C)(C)C
InChIInChI=1S/C13H28ClN/c1-6-11(7-2)9-15-10-12(14)8-13(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyHJNDGVRCQLEVAS-UHFFFAOYSA-N
MW233.83 g/mol
LogP4.06
Rot. Bonds7

About 2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine

2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine (PubChem CID 107155601) has the molecular formula C13H28ClN and a molecular weight of 233.83 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine
PubChem CID107155601
Molecular FormulaC13H28ClN
Molecular Weight233.83 g/mol
Exact Mass233.19
IUPAC Name2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine
SMILESCCC(CC)CNCC(Cl)CC(C)(C)C
InChIInChI=1S/C13H28ClN/c1-6-11(7-2)9-15-10-12(14)8-13(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyHJNDGVRCQLEVAS-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4,4-dimethyl-N-pentylpentan-1-amine
CID 107155629
N-(2-chloro-4,4-dimethylpentyl)dodecan-1-amine
CID 107155628
N-(2-chloro-4,4-dimethylpentyl)octan-1-amine
CID 107155580
2-chloro-N,4,4-trimethylpentan-1-amine
CID 107155762
2-chloro-4,4-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 107155576
2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine
CID 107155670
2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine
CID 107155611
1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol
CID 107152038
2-chloro-4,4-dimethyl-N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 107155778
N,2-diethylbutan-1-amine;hydrochloride
CID 171379469
2-N-(2,3-dimethylbutan-2-yl)-1-N-(2-ethylbutyl)butane-1,2-diamine
CID 173233683
2-ethyl-N-(2-methoxy-2-methylpropyl)butan-1-amine
CID 115757001

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine (CID 107155601) is 2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine is CCC(CC)CNCC(Cl)CC(C)(C)C.
What is the InChIKey of 2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine?
The InChIKey is HJNDGVRCQLEVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28ClN/c1-6-11(7-2)9-15-10-12(14)8-13(3,4)5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine?
2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine has a molecular weight of 233.83 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 107155601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).